ethyl 4-amino-2-({2-[benzyl(phenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[benzyl(phenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[benzyl(phenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
Compound ID: | E726-0115 |
Compound Name: | ethyl 4-amino-2-({2-[benzyl(phenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
Molecular Weight: | 422.5 |
Molecular Formula: | C22 H22 N4 O3 S |
Smiles: | CCOC(c1cnc(nc1N)SCC(N(Cc1ccccc1)c1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8881 |
logD: | 3.8881 |
logSw: | -3.9072 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.327 |
InChI Key: | OWJGLIIPLUYFBG-UHFFFAOYSA-N |